Project Grant 2435970
- This $559,842 Project Grant award from the National Science Foundation's (NSF) Division of Chemistry under the CFDA Program 47.049 - Mathematical and Physical Sciences supports the development of theoretical models and computational data analysis tools by Dr. Dmitrii E. Makarov of the University of Texas at Austin. The research aims to decipher the fundamental mechanisms of biomolecular motions and the efficiency of molecular machines through a synthesis of chemical theory, computational...
- The National Science Foundation (NSF) awarded a $480,000 Project Grant under the Mathematical and Physical Sciences program (CFDA 47.049) to Virginia Commonwealth University (VCU) from January 1, 2025 to December 31, 2027. The grant supports a collaborative research project led by Professors Katharine Tibbetts and Ka Un Lao to study the ultrafast molecular dynamics of conformational isomers, or molecules that can take on multiple shapes. The researchers will use advanced laser techniques and...
- This $500,000 Project Grant award from the National Science Foundation's (NSF) Mathematical and Physical Sciences program (CFDA 47.049) will fund Dr. Nicholas Truex at the University of South Carolina to investigate synthetic protein switches. The research aims to characterize the molecular interactions that enable these proteins to adopt two distinct folded structures, utilizing non-natural amino acids to dissect their conformation and stability. Key experimental techniques will include...
- The National Science Foundation (NSF) awarded a $249,950 Project Grant under the Mathematical and Physical Sciences (CFDA 47.049) program to Professor William C. Pfalzgraff and Chatham University. The funding supports the development of computational methods to accelerate the calculation of molecular properties from computer simulations, which are essential tools in modern chemistry. The project aims to create formally exact generalized master equation (GME) approaches that can efficiently...
- The National Science Foundation (NSF) awarded a $232,818 Project Grant under the Mathematical and Physical Sciences federal grant program (CFDA 47.049) to Texas Christian University (TCU). The 3-year grant, effective from September 1, 2025 to August 31, 2028, will support research exploring how topological features and computable invariants can help classify and organize complex mathematical structures known as operator algebras. The project aims to make far-reaching generalizations of recent...
- This National Science Foundation (NSF) Mathematical and Physical Sciences (CFDA 47.049) Project Grant award to The Administrators of the Tulane Educational Fund (Tulane University) provides $112,576 in funding from February 1, 2024 to March 31, 2024 to support theoretical research, computation, and education aimed at developing more accurate and predictive density functionals for the exchange-correlation energy in quantum mechanical modeling of molecules, chemicals, and materials. The research...
- The National Science Foundation awarded $212,092 under the Mathematical and Physical Sciences federal grant program (CFDA 47.049) to the Texas A&M Engineering Experiment Station (Tees) of the Texas A&M University System for a two-year collaborative research project from December 2021 to November 2023. The project aims to advance biomaterials design through computational simulation and manipulation of intrinsically disordered proteins. Specifically, researchers will work to better...
- The National Science Foundation (NSF) awarded a $250,000 Project Grant under the Mathematical and Physical Sciences (CFDA 47.049) federal grant program to Texas A&M University-Corpus Christi (TAMU-CC) and Bowling Green State University. The grant supports collaborative research by Professors Pavel Anzenbacher and Mark A. Olson to develop new molecular receptors that can recognize and bind biologically and pharmacologically relevant substances, and convert this recognition into a mechanical...
- The National Science Foundation (NSF), through its Mathematical and Physical Sciences (CFDA 47.049) program, awarded a $301,463 project grant to the University of Missouri System's Missouri University of Science & Technology. The grant supports computational chemistry research conducted by Professor Greg Tschumper's group to study non-covalent molecular interactions and their applications for organic semiconductor devices. The project will employ high-accuracy quantum mechanics-based methods...
- This Project Grant award from the National Science Foundation (CFDA 47.041 - Engineering) in the amount of $387,558 will support collaborative research led by Texas A&M Engineering Experiment Station (Tees) to study the fundamental relationships governing the assembly of solid materials from shape-changing ribbon-like particles made of liquid crystal elastomers. The research aims to elucidate the stimulus-structure-property relationships that control the reversible physical entanglement of...
This Project Grant award from the National Science Foundation's (NSF) Mathematical and Physical Sciences program (CFDA 47.049) provides $300,000 to Texas Christian University (TCU) to gain a better understanding of the structure-function relationships of molecular hinges. The research aims to develop computational models to provide insights into an experimental training set where the conformation and dynamics of molecular hinges are understood, measurable, and tunable. Key project deliverables include workflows to determine pKa values, chemical shifts, environment-dependent conformational ensemble sampling, equilibrium position analysis, and the thermodynamics of hinge motion. This research will inform the design of new organic materials and provide cross-training opportunities for undergraduate and graduate students in experimental synthetic organic chemistry and computation. The award period is from September 1, 2025 to August 31, 2027. No sub-awards are planned.
Mod # | Description | ReasonForModification | Federal Obligation | Date |
|---|---|---|---|---|
| Not listed | $300.0k | 8/26/25 |